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Information card for entry 7001193
Preview
| Coordinates | 7001193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N6 O6 Re2 S2 |
|---|---|
| Calculated formula | C18 H16 N6 O6 Re2 S2 |
| SMILES | [Re]12([S]([Re](Sc3[n]2ccn3C)([n]2cn(cc2)C)(C#[O])(C#[O])C#[O])c2[n]1ccn2C)(C#[O])(C#[O])C#[O] |
| Title of publication | Tetranuclear group 7/8 mixed-metal and open trinuclear group 7 metal carbonyl clusters bearing bridging 2-mercapto-1-methylimidazole ligands |
| Authors of publication | Ghosh, Shishir; Kabir, Shariff E.; Pervin, Salina; Raha, Arun K.; Golzar Hossain, G. M.; Haworth, Daniel T.; Lindeman, Sergey V.; Bennett, Dennis W.; Siddiquee, Tasneem A.; Salassa, Luca; Roesky, Herbert W. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 18 |
| Pages of publication | 3510 - 3518 |
| a | 9.1679 ± 0.0001 Å |
| b | 11.5587 ± 0.0002 Å |
| c | 12.2641 ± 0.0002 Å |
| α | 74.976 ± 0.001° |
| β | 87.691 ± 0.001° |
| γ | 76.22 ± 0.001° |
| Cell volume | 1218.74 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0207 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179708 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/11. |
7001193.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001193.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001193.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001193.cif |
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